5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole

C11H20N4O — CID 83067656

IUPAC5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1ncnc1COC1(C)CNC1
InChIInChI=1S/C11H20N4O/c1-9(2)4-15-10(13-8-14-15)5-16-11(3)6-12-7-11/h8-9,12H,4-7H2,1-3H3
InChIKeyVBAAJJHNRGAVLJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.81
Rot. Bonds5

About 5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole

5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole (PubChem CID 83067656) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole
PubChem CID83067656
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1ncnc1COC1(C)CNC1
InChIInChI=1S/C11H20N4O/c1-9(2)4-15-10(13-8-14-15)5-16-11(3)6-12-7-11/h8-9,12H,4-7H2,1-3H3
InChIKeyVBAAJJHNRGAVLJ-UHFFFAOYSA-N
XLogP0.81
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine
CID 107385628
5-[[3-(2-bromophenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 79459562
N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine
CID 105416460
5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 79460057
2,2-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclopentan-1-ol
CID 79862641
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154
N-methyl-1-(1-methylcyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000139
2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine
CID 113395337
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 58157944
2-methoxy-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 102698021
5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 115956585
(1S)-1-[4-bromo-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]ethanamine
CID 102946997

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole (CID 83067656) is 5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole is CC(C)Cn1ncnc1COC1(C)CNC1.
What is the InChIKey of 5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole?
The InChIKey is VBAAJJHNRGAVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)4-15-10(13-8-14-15)5-16-11(3)6-12-7-11/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole?
5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole has a molecular weight of 224.31 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 83067656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).